1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one

C18H18F2N2O2 — CID 56797789

IUPAC1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(F)c(NCCOc2ccc(F)cc2)c1
InChIInChI=1S/C18H18F2N2O2/c19-13-3-6-15(7-4-13)24-11-9-21-17-12-14(5-8-16(17)20)22-10-1-2-18(22)23/h3-8,12,21H,1-2,9-11H2
InChIKeyQQSSQPXSZNPIMO-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.58
Rot. Bonds6

About 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one

1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 56797789) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one
PubChem CID56797789
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(F)c(NCCOc2ccc(F)cc2)c1
InChIInChI=1S/C18H18F2N2O2/c19-13-3-6-15(7-4-13)24-11-9-21-17-12-14(5-8-16(17)20)22-10-1-2-18(22)23/h3-8,12,21H,1-2,9-11H2
InChIKeyQQSSQPXSZNPIMO-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one (CID 56797789) is 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(F)c(NCCOc2ccc(F)cc2)c1.
What is the InChIKey of 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is QQSSQPXSZNPIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-13-3-6-15(7-4-13)24-11-9-21-17-12-14(5-8-16(17)20)22-10-1-2-18(22)23/h3-8,12,21H,1-2,9-11H2.
What are the key properties of 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one?
1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one has a molecular weight of 332.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 56797789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).